CAS No.7791-71-1,5'-O-Tritylthymidine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	7791-71-1
Name:	5'-O-Tritylthymidine
Article Data:	46

Formula:	C₂₉H₂₈N₂O₅
Molecular Weight:	484.552
Synonyms:	Thymidine,5'-O-trityl- (6CI,7CI,8CI);5'-O-Trityl-2'-deoxythymidine;5'-O-Tritylthymidine;5'-Tritylthymidine;NSC 75113;
EINECS:	2017-001-1
Density:	1.275g/cm³
Melting Point:	125 °C(Solv: acetone (67-64-1); ethyl ether (60-29-7))
Safety:	22-24/25
PSA:	93.55000
LogP:	3.50210

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Specification

The 5'-O-Tritylthymidine with the cas number 7791-71-1 is also called Thymidine,5'-O-(triphenylmethyl)-. The IUPAC name is 1-[4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione. Its molecular formula is C₂₉H₂₈N₂O₅. This chemical belongs to the following product categories: (1)Biochemicals and Reagents; (2)Nucleoside Analogs; (3)Nucleosides, Nucleotides, Oligonucleotides.

The properties of the chemical are: (1)ACD/LogP: 5.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.05; (4)ACD/LogD (pH 7.4): 5.05; (5)ACD/BCF (pH 5.5): 4068.7; (6)ACD/BCF (pH 7.4): 4012.21; (7)ACD/KOC (pH 5.5): 13341.97; (8)ACD/KOC (pH 7.4): 13156.74; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 68.31 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 133.54 cm³; (15)Molar Volume: 379.8 cm³; (16)Polarizability: 52.94×10^-24cm³; (17)Surface Tension: 53.9 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1NC(=O)N(\C=C\1C)[C@@H]2O[C@@H]([C@@H](O)C2)COC(c3ccccc3)(c4ccccc4)c5ccccc5
(2)InChI: InChI=1/C29H28N2O5/c1-20-18-31(28(34)30-27(20)33)26-17-24(32)25(36-26)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26,32H,17,19H2,1H3,(H,30,33,34)/t24-,25+,26+/m0/s1
(3)InChIKey: FZDHVUVGQXVYOP-JIMJEQGWBR